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SCC-DFTB parameterization for boron and boranes
Grundkötter-Stock, Bernhard, Bezugly, Viktor, Kunstmann, Jens, Cuniberti, Gianaurelio, Frauenheim, Th. and Niehaus, Thomas A. (2012) SCC-DFTB parameterization for boron and boranes. J. Chem. Theory Comput. 8, p. 1153. (In Press)Date of publication of this fulltext: 09 Nov 2011 13:06
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| Item type | Article |
| Journal or Publication Title | J. Chem. Theory Comput. |
| Publisher: | American Chemical Society |
|---|---|
| Volume: | 8 |
| Page Range: | p. 1153 |
| Date | 2012 |
| Institutions | Physics > Institute of Theroretical Physics > Alumni or Retired Professors > Group Thomas Niehaus |
| Dewey Decimal Classification | 500 Science > 530 Physics |
| Status | In Press |
| Refereed | Yes, this version has been refereed |
| Created at the University of Regensburg | Yes |
| Item ID | 22538 |
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